SCHEMBL6995857

SCHEMBL6995857

O=C(O)C1(CSc2ccc(Oc3ccc(Cl)cc3)cc2)CC2CCC(C1)O2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.46
MMP13 P45452 2/20 0.46
ALDH1A1 P00352 4/20 0.40
S1PR5 Q9H228 1/20 0.38
FFAR1 O14842 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LTA4H P09960 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6995243 0.88 MMP1 (0.46) MMP1MMP13ALDH1A1L3MBTL1KMT2A
SCHEMBL7001941 0.88 MMP1 (0.56) MMP1MMP13ALDH1A1KMT2AHPGD
SCHEMBL6998853 0.88 MMP1 (0.56) MMP1MMP13ALDH1A1KMT2AHPGD
SCHEMBL7993451 0.81 MMP1 (0.45) MMP1MMP13ALDH1A1L3MBTL1KMT2A
SCHEMBL2409029 0.80 MMP1 (0.50) MMP1MMP13ALDH1A1TDP1L3MBTL1
SCHEMBL7993340 0.76 MMP1 (0.56) MMP1MMP13ALDH1A1L3MBTL1MMP2
SCHEMBL6993318 0.73 S1PR5 (0.41) MMP1MMP13ALDH1A1S1PR5FFAR1
SCHEMBL6995225 0.72 MMP1 (0.42) MMP1MMP13ALDH1A1L3MBTL1GAA
SCHEMBL6995230 0.72 MMP1 (0.42) MMP1MMP13ALDH1A1L3MBTL1GAA
SCHEMBL7993343 0.71 ALDH1A1 (0.33) MMP1MMP13ALDH1A1L3MBTL1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070069-B1 BICYCLIC HYDROXAMIC ACID DERIVATIVES PFIZER PROD INC (US) 2003-07-16 EP disclosed
US-6110964-A FOR TREATING ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, EMPHYSEMA, ACUTE RESPIRATORY DISTRESS SYNDROME, ASTHMA CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ALZHEIMER'S DISEASE, ORGAN TRANSPLANT TOXICITY, CACHEXIA, CANCER PFIZER INC. (US) 2000-08-29 US disclosed